3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide

C6H12O6S2 — CID 87128228

IUPAC3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
SMILESCC1(C)OS(=O)(=O)C(C)(C)OS1(=O)=O
InChIInChI=1S/C6H12O6S2/c1-5(2)11-14(9,10)6(3,4)12-13(5,7)8/h1-4H3
InChIKeyOFLYCPQGDSILKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.17
Rot. Bonds

About 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide

3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide (PubChem CID 87128228) has the molecular formula C6H12O6S2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
PubChem CID87128228
Molecular FormulaC6H12O6S2
Molecular Weight244.29 g/mol
Exact Mass244.01
IUPAC Name3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide
SMILESCC1(C)OS(=O)(=O)C(C)(C)OS1(=O)=O
InChIInChI=1S/C6H12O6S2/c1-5(2)11-14(9,10)6(3,4)12-13(5,7)8/h1-4H3
InChIKeyOFLYCPQGDSILKA-UHFFFAOYSA-N
XLogP0.17
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide?
The IUPAC name of 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide (CID 87128228) is 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide.
What is the SMILES notation for 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide?
The canonical SMILES for 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide is CC1(C)OS(=O)(=O)C(C)(C)OS1(=O)=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide?
The InChIKey is OFLYCPQGDSILKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6S2/c1-5(2)11-14(9,10)6(3,4)12-13(5,7)8/h1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide?
3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide has a molecular weight of 244.29 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1,4,2,5-dioxadithiane 2,2,5,5-tetraoxide is sourced from PubChem (CID 87128228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).